PubChemLite - 314042-75-6 (C28H24Cl2N2O3S)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl)O)C5=CC=CC=C5

InChI

InChI=1S/C28H24Cl2N2O3S/c1-19-7-11-24(12-8-19)36(34,35)32(22-5-3-2-4-6-22)18-23(33)17-31-27-13-9-20(29)15-25(27)26-16-21(30)10-14-28(26)31/h2-16,23,33H,17-18H2,1H3

InChIKey

QFOXQLJDOLBHAR-UHFFFAOYSA-N

Compound name

N-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	539.09572	225.6
[M+Na]+	561.07766	235.0
[M-H]-	537.08116	235.7
[M+NH4]+	556.12226	234.9
[M+K]+	577.05160	227.5
[M+H-H2O]+	521.08570	217.5
[M+HCOO]-	583.08664	230.7
[M+CH3COO]-	597.10229	233.4
[M+Na-2H]-	559.06311	226.4
[M]+	538.08789	236.0
[M]-	538.08899	236.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

539.09572

225.6

[M+Na]+

561.07766

235.0

[M-H]-

537.08116

235.7

[M+NH4]+

556.12226

234.9

[M+K]+

577.05160

227.5

[M+H-H2O]+

521.08570

217.5

[M+HCOO]-

583.08664

230.7

[M+CH3COO]-

597.10229

233.4

[M+Na-2H]-

559.06311

226.4

[M]+

538.08789

236.0

[M]-

538.08899

236.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

314042-75-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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